4-ethyl-1-[(2R)-1-(2-fluorophenyl)propan-2-yl]-1,4-diazepan-1-ium-5-one

Systemtic Name: 4-ethyl-1-[(2R)-1-(2-fluorophenyl)propan-2-yl]-1,4-diazepan-1-ium-5-one Openeye Name: 4-ethyl-1-[(1R)-2-(2-fluorophenyl)-1-methyl-ethyl]-1,4-diazepan-1-ium-5-one CAS Name: 4-ethyl-1-[(2R)-1-(2-fluorophenyl)propan-2-yl]-1,4-diazepan-1-ium-5-one IUPAC Name: 4-ethyl-1-[(2R)-1-(2-fluorophenyl)propan-2-yl]-1,4-diazepan-1-ium-5-one Traditional Name: 4-ethyl-1-[(1R)-2-(2-fluorophenyl)-1-methyl-ethyl]-1,4-diazepan-1-ium-5-one Formula: C16H24FN2O+ MolecularWeight: 279.372963

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CCC1=O)C(C)CC2=CC=CC=C2F

Isomeric SMILES

CCN1CC[NH+](CCC1=O)[C@H](C)CC2=CC=CC=C2F

InChI

InChI=1S/C16H23FN2O/c1-3-18-10-11-19(9-8-16(18)20)13(2)12-14-6-4-5-7-15(14)17/h4-7,13H,3,8-12H2,1-2H3/p+1/t13-/m1/s1